ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-(naphthalen-1-ylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-(1-naphthylmethyl)-4-(4-nitrophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(1-naphthalenylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-(4-nitrophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(1-naphthylmethyl)-4-nosyl-piperazine; oxalic acid Formula: C23H23N3O8S MolecularWeight: 501.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3O4S.C2H2O4/c25-24(26)19-8-10-20(11-9-19)29(27,28)23-14-12-22(13-15-23)16-18-6-3-5-17-4-1-2-7-21(17)18;3-1(4)2(5)6/h1-11H,12-16H2;(H,3,4)(H,5,6)